#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i9b n GLU 2 N 0.00 2.04 -3.82 2.12 4.07 -1.26 -5.15 120.64 118.64 3i9b n GLU 2 Ca 0.00 0.00 -0.10 0.00 -0.06 0.00 0.00 57.16 57.00 3i9b n GLU 2 Cb 0.00 0.00 -0.05 0.00 -0.06 0.00 0.00 31.44 31.33 3i9b n GLU 2 CO 0.00 0.00 0.00 1.14 -0.06 0.00 0.00 177.13 178.21 3i9b s GLN 3 N 0.23 1.24 -0.34 5.31 -2.07 -1.25 -4.90 119.66 117.88 3i9b s GLN 3 Ca 0.00 -0.98 -0.03 0.00 -1.82 0.00 0.00 55.36 52.53 3i9b s GLN 3 Cb 0.00 0.45 0.26 0.00 -1.09 0.00 0.00 33.01 32.63 3i9b s GLN 3 CO 0.00 -0.49 1.20 0.66 -1.32 0.00 0.00 175.29 175.34 3i9b n TYR 4 N -0.27 -0.67 0.00 9.60 0.53 -1.26 -4.77 117.16 120.33 3i9b n TYR 4 Ca -0.10 -0.73 0.00 0.00 -1.02 0.00 0.00 57.90 56.06 3i9b n TYR 4 Cb 0.63 1.11 0.00 0.00 -1.03 0.00 0.00 39.34 40.04 3i9b n TYR 4 CO 0.00 0.00 0.00 0.66 -1.02 0.00 0.00 176.86 176.50 3i9b n TYR 5 N 1.73 0.00 -0.98 -0.72 4.02 -1.26 -3.92 117.16 116.04 3i9b n TYR 5 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.93 3i9b n TYR 5 Cb 0.69 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.01 3i9b n TYR 5 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3i9b n GLY 6 N 0.00 -1.87 2.50 2.72 0.00 -0.84 -4.01 105.19 103.69 3i9b n GLY 6 Ca 0.00 -0.50 -0.28 0.00 0.00 0.00 0.00 46.02 45.24 3i9b n GLY 6 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i9b s THR 7 N 0.00 0.54 -0.36 2.61 2.01 -1.26 -3.55 115.64 115.63 3i9b s THR 7 Ca 0.00 -2.30 -0.01 0.00 0.31 0.00 0.00 61.69 59.69 3i9b s THR 7 Cb 0.00 -1.39 0.09 0.00 0.01 0.00 0.00 72.50 71.22 3i9b s THR 7 CO 0.00 -1.07 0.11 -0.83 -0.69 0.00 0.00 174.62 172.15 3i9b s GLY 8 N 0.47 1.91 -0.02 4.40 0.00 0.63 -4.33 107.32 110.40 3i9b s GLY 8 Ca 0.24 -2.33 0.04 0.00 0.00 0.00 0.00 44.72 42.67 3i9b s GLY 8 CO -0.08 0.92 -0.14 0.50 0.00 0.00 0.00 173.10 174.31 3i9b s ARG 9 N 1.11 2.41 -0.29 2.90 0.52 -1.25 -2.19 118.95 122.17 3i9b s ARG 9 Ca 0.05 -0.77 -0.18 0.00 -0.52 0.00 0.00 55.73 54.32 3i9b s ARG 9 Cb -0.21 -2.36 0.17 0.00 0.52 0.00 0.00 34.95 33.07 3i9b s ARG 9 CO -0.04 0.60 1.10 1.03 0.02 0.00 0.00 175.30 178.01 3i9b s ARG 10 N -1.04 0.27 -0.79 3.54 0.52 -1.02 -4.74 118.95 115.69 3i9b s ARG 10 Ca 0.13 0.43 -0.01 0.00 -0.52 0.00 0.00 55.73 55.77 3i9b s ARG 10 Cb -0.11 0.07 0.01 0.00 0.52 0.00 0.00 34.95 35.44 3i9b s ARG 10 CO 0.03 -0.05 0.02 1.17 0.02 0.00 0.00 175.30 176.49 3i9b n LYS 11 N 3.22 -0.96 -2.85 3.54 4.81 -1.26 0.13 118.16 124.78 3i9b n LYS 11 Ca -0.17 0.05 -0.08 0.00 -0.87 0.00 0.00 58.31 57.23 3i9b n LYS 11 Cb 0.57 -1.83 0.03 0.00 0.02 0.00 0.00 35.03 33.82 3i9b n LYS 11 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 3i9b n GLU 12 N -2.77 -2.80 -4.05 1.64 0.00 -1.26 -4.94 120.64 106.46 3i9b n GLU 12 Ca -0.15 0.30 -0.31 0.00 0.00 0.00 0.00 57.16 56.99 3i9b n GLU 12 Cb 0.34 -3.71 -0.16 0.00 0.00 0.00 0.00 31.44 27.92 3i9b n GLU 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3i9b s ALA 13 N -3.12 2.17 -0.23 4.31 0.00 0.34 -3.67 121.76 121.57 3i9b s ALA 13 Ca 0.19 -1.24 -0.05 0.00 0.00 0.00 0.00 51.96 50.86 3i9b s ALA 13 Cb -0.08 -1.25 -0.01 0.00 0.00 0.00 0.00 23.12 21.77 3i9b s ALA 13 CO 0.26 -0.65 -0.01 0.08 0.00 0.00 0.00 175.76 175.44 3i9b s VAL 14 N 1.33 3.60 -0.18 0.00 1.01 0.11 -2.44 120.40 123.83 3i9b s VAL 14 Ca 0.01 -0.44 -0.25 0.00 0.00 0.00 0.00 61.98 61.30 3i9b s VAL 14 Cb -0.15 -2.66 0.06 0.00 0.00 0.00 0.00 36.38 33.63 3i9b s VAL 14 CO -0.10 0.39 0.65 0.00 0.00 0.00 0.00 175.10 176.04 3i9b s ALA 15 N 1.51 -1.63 -0.15 5.51 0.00 -0.93 0.14 121.76 126.21 3i9b s ALA 15 Ca 0.06 1.64 0.01 0.00 0.00 0.00 0.00 51.96 53.67 3i9b s ALA 15 Cb -0.15 -0.72 0.01 0.00 0.00 0.00 0.00 23.12 22.26 3i9b s ALA 15 CO -0.02 -0.33 -0.19 1.03 0.00 0.00 0.00 175.76 176.26 3i9b s ARG 16 N -0.16 3.08 0.13 0.00 0.52 -1.25 -0.26 118.95 121.00 3i9b s ARG 16 Ca -0.04 -0.81 -0.13 0.00 -0.52 0.00 0.00 55.73 54.23 3i9b s ARG 16 Cb -0.03 -2.53 -0.07 0.00 0.52 0.00 0.00 34.95 32.84 3i9b s ARG 16 CO 0.04 -0.05 0.50 0.08 0.02 0.00 0.00 175.30 175.89 3i9b s VAL 17 N 0.93 4.93 0.00 3.52 1.01 -1.23 -3.17 120.40 126.39 3i9b s VAL 17 Ca -0.04 0.70 0.00 0.00 0.00 0.00 0.00 61.98 62.64 3i9b s VAL 17 Cb -0.15 -3.70 0.00 0.00 0.00 0.00 0.00 36.38 32.53 3i9b s VAL 17 CO -0.04 0.24 0.00 0.49 0.00 0.00 0.00 175.10 175.80 3i9b n PHE 18 N 0.79 0.00 0.00 5.22 3.01 0.23 -1.98 117.46 124.73 3i9b n PHE 18 Ca -0.06 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.40 3i9b n PHE 18 Cb 0.52 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.99 3i9b n PHE 18 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 3i9b n LEU 19 N 0.00 0.00 -3.46 4.37 4.77 -0.99 -4.02 117.00 117.67 3i9b n LEU 19 Ca 0.00 0.00 -0.28 0.00 -0.03 0.00 0.00 56.01 55.70 3i9b n LEU 19 Cb 0.00 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 40.97 3i9b n LEU 19 CO 0.00 0.00 -0.31 -0.13 -1.33 0.00 0.00 177.39 175.62 3i9b s ARG 20 N -4.65 0.68 0.00 3.23 0.52 -1.19 -3.93 118.95 113.62 3i9b s ARG 20 Ca 0.00 -1.57 0.00 0.00 -0.52 0.00 0.00 55.73 53.64 3i9b s ARG 20 Cb 0.00 -1.39 0.00 0.00 0.52 0.00 0.00 34.95 34.08 3i9b s ARG 20 CO 0.00 -1.26 0.00 -2.30 0.02 0.00 0.00 175.30 171.76 3i9b n PRO 21 N 3.69 0.00 -5.10 3.54 -0.02 -1.26 -3.40 135.00 132.46 3i9b n PRO 21 Ca 0.17 0.00 -0.32 0.00 -2.02 0.00 0.00 63.50 61.32 3i9b n PRO 21 Cb 0.40 -0.14 -0.16 0.00 -0.02 0.00 0.00 33.50 33.58 3i9b n PRO 21 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3i9b s GLY 22 N 0.00 1.39 0.34 -1.23 0.00 -0.47 -4.81 107.32 102.54 3i9b s GLY 22 Ca 0.00 -0.98 0.12 0.00 0.00 0.00 0.00 44.72 43.87 3i9b s GLY 22 CO 0.00 -0.43 0.69 0.70 0.00 0.00 0.00 173.10 174.06 3i9b n ASN 23 N 3.23 0.00 -4.46 1.64 4.13 -1.22 -4.18 115.26 114.40 3i9b n ASN 23 Ca -0.18 0.40 -0.12 0.00 1.68 0.00 0.00 54.58 56.36 3i9b n ASN 23 Cb 0.53 -0.12 -0.10 0.00 -1.54 0.00 0.00 39.78 38.55 3i9b n ASN 23 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3i9b n GLY 24 N -1.25 -0.31 3.68 7.41 0.00 -1.24 -4.43 105.19 109.04 3i9b n GLY 24 Ca 0.11 0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 3i9b n GLY 24 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i9b s LYS 25 N 7.84 4.17 0.27 1.61 0.00 -1.15 -3.98 119.74 128.50 3i9b s LYS 25 Ca 0.73 2.44 0.04 0.00 0.00 0.00 0.00 55.97 59.18 3i9b s LYS 25 Cb -0.13 -3.82 -0.02 0.00 0.00 0.00 0.00 37.83 33.86 3i9b s LYS 25 CO 0.16 -0.84 0.15 1.33 0.00 0.00 0.00 175.35 176.15 3i9b n VAL 26 N 5.10 0.00 0.00 1.79 0.24 -1.26 -4.94 118.33 119.26 3i9b n VAL 26 Ca 0.18 -1.75 0.00 0.00 -2.04 0.00 0.00 64.34 60.73 3i9b n VAL 26 Cb 0.41 0.73 0.00 0.00 -1.47 0.00 0.00 33.84 33.51 3i9b n VAL 26 CO 0.00 0.00 0.00 1.07 -2.14 0.00 0.00 176.83 175.76 3i9b n THR 27 N -0.58 0.00 0.00 3.34 5.66 -1.24 -4.00 114.28 117.46 3i9b n THR 27 Ca -0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 3i9b n THR 27 Cb 0.44 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.22 3i9b n THR 27 CO 0.00 0.00 0.00 0.55 -3.05 0.00 0.00 175.07 172.57 3i9b n VAL 28 N 0.00 0.00 0.00 1.08 3.14 -1.24 -3.69 118.33 117.62 3i9b n VAL 28 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 3i9b n VAL 28 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 3i9b n VAL 28 CO 0.00 0.00 0.00 -3.20 -6.46 0.00 0.00 176.83 167.17 3i9b n ASN 29 N 0.00 0.00 0.00 6.55 5.15 -0.99 -3.75 115.26 122.22 3i9b n ASN 29 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 3i9b n ASN 29 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 3i9b n ASN 29 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3i9b n GLY 30 N 0.00 -2.25 0.46 8.20 0.00 -1.26 -4.96 105.19 105.38 3i9b n GLY 30 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 3i9b n GLY 30 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3i9b n GLN 31 N 0.00 1.06 -1.39 1.61 1.13 -1.25 -5.09 117.38 113.45 3i9b n GLN 31 Ca 0.00 -0.38 -0.37 0.00 -1.94 0.00 0.00 57.00 54.31 3i9b n GLN 31 Cb 0.00 -0.01 0.06 0.00 0.11 0.00 0.00 30.24 30.40 3i9b n GLN 31 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 3i9b n ASP 32 N -2.70 -0.72 0.15 1.08 8.00 -1.26 -4.08 116.55 117.02 3i9b n ASP 32 Ca 0.01 0.68 0.18 0.00 0.71 0.00 0.00 54.79 56.37 3i9b n ASP 32 Cb 0.07 -1.24 0.67 0.00 -0.02 0.00 0.00 41.12 40.60 3i9b n ASP 32 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 3i9b h PHE 33 N -0.03 0.00 0.00 1.24 3.57 -1.86 -2.89 116.94 116.97 3i9b h PHE 33 Ca -0.46 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.04 3i9b h PHE 33 Cb 1.37 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.11 3i9b h PHE 33 CO 0.34 0.00 0.00 0.09 -2.23 0.00 0.00 178.31 176.51 3i9b n ASN 34 N -3.29 0.00 0.00 0.41 5.03 -1.26 -3.53 115.26 112.62 3i9b n ASN 34 Ca 0.06 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.51 3i9b n ASN 34 Cb 0.68 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.44 3i9b n ASN 34 CO 0.00 0.00 0.00 1.21 -1.83 0.00 0.00 177.26 176.64 3i9b n GLU 35 N 0.00 0.00 0.20 3.52 0.00 -1.22 0.22 120.64 123.36 3i9b n GLU 35 Ca 0.00 0.00 0.18 0.00 0.00 0.00 0.00 57.16 57.34 3i9b n GLU 35 Cb 0.00 0.00 0.74 0.00 0.00 0.00 0.00 31.44 32.18 3i9b n GLU 35 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.13 176.21 3i9b h TYR 36 N 0.00 0.00 -1.96 4.31 3.20 -1.75 -3.05 116.97 117.73 3i9b h TYR 36 Ca 0.00 0.00 -0.52 0.00 3.14 0.00 0.00 58.73 61.35 3i9b h TYR 36 Cb 0.00 0.00 -0.41 0.00 1.54 0.00 0.00 36.73 37.86 3i9b h TYR 36 CO 0.00 0.00 -0.95 1.19 -1.64 0.00 0.00 178.16 176.76 3i9b n PHE 37 N -3.29 2.03 -3.61 -3.82 0.99 0.60 -5.09 117.46 105.27 3i9b n PHE 37 Ca 0.04 -3.71 -0.21 0.00 -0.00 0.00 0.00 57.45 53.56 3i9b n PHE 37 Cb 0.56 -0.41 -0.03 0.00 -1.00 0.00 0.00 39.48 38.60 3i9b n PHE 37 CO 0.00 0.00 0.00 1.14 -0.00 0.00 0.00 176.76 177.90 3i9b s GLN 38 N -3.00 2.53 0.00 -1.08 0.00 -1.16 -4.37 119.66 112.59 3i9b s GLN 38 Ca 0.43 -1.54 0.00 0.00 -0.00 0.00 0.00 55.36 54.25 3i9b s GLN 38 Cb 0.34 -2.36 0.00 0.00 0.00 0.00 0.00 33.01 30.99 3i9b s GLN 38 CO -0.10 -0.17 0.00 0.41 0.00 0.00 0.00 175.29 175.43 3i9b n GLY 39 N -1.52 1.22 3.62 2.60 0.00 -1.26 -4.87 105.19 104.98 3i9b n GLY 39 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 3i9b n GLY 39 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3i9b s LEU 40 N 0.00 4.06 0.00 0.99 0.20 -1.26 -4.98 118.68 117.68 3i9b s LEU 40 Ca 0.00 0.72 0.00 0.00 0.69 0.00 0.00 54.13 55.54 3i9b s LEU 40 Cb 0.00 -3.18 0.00 0.00 -0.43 0.00 0.00 46.19 42.58 3i9b s LEU 40 CO 0.00 -0.69 0.54 0.52 -0.29 0.00 0.00 176.35 176.42 3i9b n VAL 41 N 5.65 0.00 -0.41 1.68 0.31 -1.26 -3.75 118.33 120.55 3i9b n VAL 41 Ca 0.06 1.00 0.33 0.00 -0.01 0.00 0.00 64.34 65.71 3i9b n VAL 41 Cb 0.48 -1.91 0.63 0.00 -0.91 0.00 0.00 33.84 32.13 3i9b n VAL 41 CO 0.00 0.00 0.00 0.08 -1.32 0.00 0.00 176.83 175.59 3i9b h ARG 42 N 0.00 0.17 0.00 5.55 0.11 -1.99 -3.28 114.38 114.93 3i9b h ARG 42 Ca 0.00 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 60.07 3i9b h ARG 42 Cb 0.00 -0.04 0.00 0.00 1.11 0.00 0.00 29.97 31.04 3i9b h ARG 42 CO 0.00 0.11 0.00 0.00 0.10 0.00 0.00 179.97 180.18 3i9b n ALA 43 N -2.56 0.00 0.00 0.08 0.00 -1.25 -0.44 120.51 116.34 3i9b n ALA 43 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.76 3i9b n ALA 43 Cb 1.26 0.11 0.00 0.00 0.00 0.00 0.00 19.45 20.82 3i9b n ALA 43 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3i9b n VAL 44 N -1.62 0.00 0.31 0.00 0.24 -1.24 -2.69 118.33 113.33 3i9b n VAL 44 Ca 0.00 0.00 0.03 0.00 -2.04 0.00 0.00 64.34 62.33 3i9b n VAL 44 Cb 0.00 -0.63 0.00 0.00 -1.47 0.00 0.00 33.84 31.75 3i9b n VAL 44 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3i9b n ALA 45 N 1.28 2.64 1.41 2.33 0.00 0.41 -4.47 120.51 124.11 3i9b n ALA 45 Ca 0.00 -0.40 0.15 0.00 0.00 0.00 0.00 53.44 53.19 3i9b n ALA 45 Cb 0.00 -0.24 0.75 0.00 0.00 0.00 0.00 19.45 19.96 3i9b n ALA 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i9b n ALA 46 N -0.25 2.48 1.23 0.00 0.00 -1.09 -2.74 120.51 120.13 3i9b n ALA 46 Ca 0.03 -0.14 0.13 0.00 0.00 0.00 0.00 53.44 53.46 3i9b n ALA 46 Cb 0.15 -1.49 0.35 0.00 0.00 0.00 0.00 19.45 18.46 3i9b n ALA 46 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3i9b n LEU 47 N -1.30 2.13 -0.35 0.00 4.32 -1.26 -4.33 117.00 116.20 3i9b n LEU 47 Ca 0.14 -0.75 0.04 0.00 -0.02 0.00 0.00 56.01 55.42 3i9b n LEU 47 Cb 0.25 -0.03 0.19 0.00 -1.62 0.00 0.00 43.42 42.21 3i9b n LEU 47 CO 0.23 0.37 1.23 -0.08 -1.22 0.00 0.00 177.39 177.93 3i9b h GLU 48 N 3.23 1.01 0.00 3.23 4.57 -1.82 0.97 114.58 125.77 3i9b h GLU 48 Ca 0.00 -0.06 -0.00 0.00 -1.18 0.00 0.00 59.36 58.12 3i9b h GLU 48 Cb 0.69 -0.23 -0.00 0.00 -0.16 0.00 0.00 28.75 29.05 3i9b h GLU 48 CO 0.00 0.67 -0.01 -1.00 -1.18 0.00 0.00 179.01 177.48 3i9b h PRO 49 N 1.04 0.00 -0.11 0.92 0.13 -1.85 0.46 132.00 132.58 3i9b h PRO 49 Ca 0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.58 3i9b h PRO 49 Cb 0.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.44 3i9b h PRO 49 CO -0.22 0.01 0.00 1.28 -0.23 0.00 0.00 178.00 178.85 3i9b n LEU 50 N -3.18 1.05 -0.00 1.56 4.77 0.33 -2.70 117.00 118.83 3i9b n LEU 50 Ca -0.02 -0.45 0.01 0.00 -0.03 0.00 0.00 56.01 55.53 3i9b n LEU 50 Cb 0.16 -0.07 -0.02 0.00 -2.33 0.00 0.00 43.42 41.15 3i9b n LEU 50 CO 0.24 0.22 -0.54 0.54 -1.33 0.00 0.00 177.39 176.52 3i9b n ARG 51 N -0.07 0.49 0.23 3.23 1.74 0.15 -2.92 116.66 119.50 3i9b n ARG 51 Ca 0.15 -0.03 0.13 0.00 -0.77 0.00 0.00 57.85 57.32 3i9b n ARG 51 Cb 0.23 -1.08 0.29 0.00 -1.02 0.00 0.00 32.46 30.89 3i9b n ARG 51 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3i9b h ALA 52 N 0.27 0.98 -3.82 7.54 0.00 -1.07 -3.44 119.26 119.72 3i9b h ALA 52 Ca -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3i9b h ALA 52 Cb 0.26 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3i9b h ALA 52 CO 0.00 0.06 0.00 1.33 0.00 0.00 0.00 179.25 180.64 3i9b n VAL 53 N -3.12 0.00 -1.38 0.00 0.24 -1.10 -5.02 118.33 107.95 3i9b n VAL 53 Ca 0.03 0.00 -0.27 0.00 -2.04 0.00 0.00 64.34 62.06 3i9b n VAL 53 Cb 0.49 -0.59 0.12 0.00 -1.47 0.00 0.00 33.84 32.38 3i9b n VAL 53 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 3i9b n ASP 54 N -1.78 5.66 -4.55 -1.34 8.00 -1.26 -4.90 116.55 116.38 3i9b n ASP 54 Ca 0.00 -3.73 -0.42 0.00 0.71 0.00 0.00 54.79 51.34 3i9b n ASP 54 Cb 0.00 -0.84 -0.06 0.00 -0.02 0.00 0.00 41.12 40.20 3i9b n ASP 54 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3i9b s ALA 55 N -3.58 3.39 -0.44 2.24 0.00 -1.15 -4.85 121.76 117.37 3i9b s ALA 55 Ca 0.59 -0.98 0.10 0.00 0.00 0.00 0.00 51.96 51.67 3i9b s ALA 55 Cb 0.48 -3.27 0.37 0.00 0.00 0.00 0.00 23.12 20.70 3i9b s ALA 55 CO 0.03 -1.58 0.89 1.47 0.00 0.00 0.00 175.76 176.57 3i9b n LEU 56 N 6.24 2.68 0.00 0.00 -0.00 -1.26 -4.43 117.00 120.23 3i9b n LEU 56 Ca -0.01 -5.06 0.00 0.00 -0.00 0.00 0.00 56.01 50.94 3i9b n LEU 56 Cb 0.48 0.09 0.00 0.00 -0.00 0.00 0.00 43.42 43.99 3i9b n LEU 56 CO 0.52 2.19 0.00 0.61 -0.00 0.00 0.00 177.39 180.71 3i9b n GLY 57 N -0.05 0.84 0.34 1.47 0.00 -1.26 -4.89 105.19 101.63 3i9b n GLY 57 Ca 0.26 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.36 3i9b n GLY 57 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3i9b n HIS 58 N -2.00 0.39 -2.98 1.61 8.25 -1.26 -2.93 115.22 116.30 3i9b n HIS 58 Ca 0.00 1.17 -0.15 0.00 -0.26 0.00 0.00 57.72 58.48 3i9b n HIS 58 Cb 0.00 -1.09 0.06 0.00 1.12 0.00 0.00 29.99 30.08 3i9b n HIS 58 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3i9b n PHE 59 N -5.54 -2.51 -3.90 4.41 3.01 -1.26 -1.37 117.46 110.30 3i9b n PHE 59 Ca 0.17 -1.59 -0.30 0.00 1.01 0.00 0.00 57.45 56.73 3i9b n PHE 59 Cb 0.53 -0.43 -0.13 0.00 -0.01 0.00 0.00 39.48 39.44 3i9b n PHE 59 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 3i9b s ASP 60 N -3.79 4.66 -0.37 4.37 -1.08 -1.22 -3.70 116.67 115.54 3i9b s ASP 60 Ca 0.47 -3.33 -0.40 0.00 -0.52 0.00 0.00 52.55 48.77 3i9b s ASP 60 Cb -0.04 -1.67 -0.15 0.00 -1.46 0.00 0.00 42.92 39.60 3i9b s ASP 60 CO 0.30 -0.19 1.99 0.00 0.52 0.00 0.00 175.17 177.79 3i9b n ALA 61 N 2.70 0.28 -3.74 3.66 0.00 -1.26 -2.34 120.51 119.82 3i9b n ALA 61 Ca 0.11 0.19 -0.28 0.00 0.00 0.00 0.00 53.44 53.46 3i9b n ALA 61 Cb 0.34 -2.28 -0.16 0.00 0.00 0.00 0.00 19.45 17.34 3i9b n ALA 61 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 3i9b s TYR 62 N 5.42 1.22 0.02 0.00 5.04 -1.24 -3.71 117.35 124.10 3i9b s TYR 62 Ca 1.08 -1.08 -0.02 0.00 -2.44 0.00 0.00 57.07 54.61 3i9b s TYR 62 Cb -1.13 -1.18 -0.02 0.00 0.35 0.00 0.00 41.96 39.99 3i9b s TYR 62 CO 0.61 -0.68 0.02 0.42 -1.34 0.00 0.00 175.55 174.58 3i9b s ILE 63 N 1.79 0.11 -0.47 3.14 1.09 -1.25 0.76 121.20 126.37 3i9b s ILE 63 Ca 0.01 -0.94 0.03 0.00 -1.10 0.00 0.00 60.65 58.65 3i9b s ILE 63 Cb -0.17 -0.44 0.13 0.00 -1.06 0.00 0.00 42.46 40.91 3i9b s ILE 63 CO -0.12 -0.52 0.22 -0.89 -0.10 0.00 0.00 174.94 173.54 3i9b s THR 64 N -1.72 2.22 0.37 2.92 2.01 -1.19 -2.34 115.64 117.91 3i9b s THR 64 Ca -0.13 -2.95 -0.13 0.00 0.31 0.00 0.00 61.69 58.78 3i9b s THR 64 Cb -0.07 -2.56 -0.08 0.00 0.01 0.00 0.00 72.50 69.79 3i9b s THR 64 CO -0.01 -0.79 0.77 0.54 -0.69 0.00 0.00 174.62 174.43 3i9b s VAL 65 N 0.08 4.71 -0.14 3.82 0.11 -1.26 -3.88 120.40 123.84 3i9b s VAL 65 Ca 0.16 0.84 -0.26 0.00 -2.93 0.00 0.00 61.98 59.80 3i9b s VAL 65 Cb -0.24 -3.66 0.06 0.00 -1.53 0.00 0.00 36.38 31.01 3i9b s VAL 65 CO -0.02 -0.35 0.64 -0.60 -3.33 0.00 0.00 175.10 171.44 3i9b s ARG 66 N -3.39 0.89 0.03 1.54 3.52 0.38 -4.95 118.95 116.97 3i9b s ARG 66 Ca 0.53 0.54 0.00 0.00 -0.13 0.00 0.00 55.73 56.67 3i9b s ARG 66 Cb -0.10 0.42 0.00 0.00 -1.56 0.00 0.00 34.95 33.71 3i9b s ARG 66 CO 0.23 -0.20 0.00 0.41 -0.81 0.00 0.00 175.30 174.93 3i9b n GLY 67 N 1.81 -3.86 0.00 8.12 0.00 -1.26 -0.71 105.19 109.29 3i9b n GLY 67 Ca -0.17 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.14 3i9b n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i9b n GLY 68 N 0.22 -0.97 3.26 -0.02 0.00 -1.24 -3.96 105.19 102.48 3i9b n GLY 68 Ca 0.00 -1.27 -0.35 0.00 0.00 0.00 0.00 46.02 44.39 3i9b n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i9b n GLY 69 N 0.49 -2.99 0.21 -0.02 0.00 -1.26 -4.45 105.19 97.17 3i9b n GLY 69 Ca 0.00 -0.61 -0.05 0.00 0.00 0.00 0.00 46.02 45.35 3i9b n GLY 69 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i9b n LYS 70 N 0.39 -0.22 -0.06 1.61 4.01 -1.26 -2.57 118.16 120.07 3i9b n LYS 70 Ca 0.05 0.84 -0.02 0.00 -0.51 0.00 0.00 58.31 58.67 3i9b n LYS 70 Cb 0.53 -1.23 -0.01 0.00 -0.51 0.00 0.00 35.03 33.80 3i9b n LYS 70 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 3i9b n SER 71 N -4.40 -0.16 -0.08 4.39 2.88 -1.26 -0.07 113.62 114.93 3i9b n SER 71 Ca 0.01 0.44 -0.10 0.00 -1.33 0.00 0.00 58.87 57.89 3i9b n SER 71 Cb 0.13 -0.12 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 3i9b n SER 71 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 3i9b h GLY 72 N 0.00 0.39 0.17 0.46 0.00 -1.80 -1.45 103.07 100.84 3i9b h GLY 72 Ca 0.02 -0.20 0.18 0.00 0.00 0.00 0.00 47.33 47.34 3i9b h GLY 72 CO -0.14 0.19 0.62 1.46 0.00 0.00 0.00 176.54 178.67 3i9b h GLN 73 N 0.27 0.76 0.00 4.80 4.20 -0.50 0.73 115.11 125.38 3i9b h GLN 73 Ca 0.09 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.75 3i9b h GLN 73 Cb 0.13 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 27.74 3i9b h GLN 73 CO -0.01 0.50 0.00 0.82 -0.67 0.00 0.00 178.83 179.47 3i9b h ILE 74 N 0.78 0.00 -0.01 2.54 2.04 -0.30 -0.23 117.51 122.33 3i9b h ILE 74 Ca 0.57 -0.68 0.00 0.00 1.00 0.00 0.00 64.86 65.74 3i9b h ILE 74 Cb 0.87 1.66 0.00 0.00 -0.74 0.00 0.00 36.82 38.60 3i9b h ILE 74 CO -0.36 0.00 -0.36 0.47 0.00 0.00 0.00 178.15 177.90 3i9b n ASP 75 N -2.85 1.44 -0.11 1.72 10.43 0.21 -3.52 116.55 123.87 3i9b n ASP 75 Ca 0.03 -1.15 -0.25 0.00 2.57 0.00 0.00 54.79 56.00 3i9b n ASP 75 Cb 0.42 0.29 -0.11 0.00 1.84 0.00 0.00 41.12 43.55 3i9b n ASP 75 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3i9b n ALA 76 N -0.41 1.03 -0.29 2.24 0.00 0.14 -4.24 120.51 118.99 3i9b n ALA 76 Ca 0.11 -0.82 0.08 0.00 0.00 0.00 0.00 53.44 52.82 3i9b n ALA 76 Cb 0.40 -0.25 0.20 0.00 0.00 0.00 0.00 19.45 19.80 3i9b n ALA 76 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3i9b h ILE 77 N -0.76 0.23 -0.63 0.00 2.04 -1.16 0.20 117.51 117.42 3i9b h ILE 77 Ca -0.53 -0.03 0.11 0.00 1.00 0.00 0.00 64.86 65.42 3i9b h ILE 77 Cb 1.58 0.14 -0.08 0.00 -0.74 0.00 0.00 36.82 37.72 3i9b h ILE 77 CO -0.25 0.01 0.19 0.50 0.00 0.00 0.00 178.15 178.60 3i9b h LYS 78 N 0.08 0.32 -0.30 2.37 3.64 -1.74 0.46 116.57 121.40 3i9b h LYS 78 Ca 0.48 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.83 3i9b h LYS 78 Cb 0.89 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.62 3i9b h LYS 78 CO -0.76 0.21 0.16 1.25 -2.27 0.00 0.00 179.45 178.05 3i9b h LEU 79 N 0.33 0.38 -0.45 5.20 7.12 -0.80 -0.94 115.31 126.16 3i9b h LEU 79 Ca 0.33 -0.10 -0.05 0.00 0.13 0.00 0.00 57.88 58.19 3i9b h LEU 79 Cb 0.48 -0.10 -0.02 0.00 -0.53 0.00 0.00 40.66 40.49 3i9b h LEU 79 CO -0.38 0.37 0.07 1.23 -0.13 0.00 0.00 178.44 179.60 3i9b h GLY 80 N 0.37 0.80 2.00 3.75 0.00 -0.91 1.50 103.07 110.58 3i9b h GLY 80 Ca 0.11 -0.54 0.00 0.00 0.00 0.00 0.00 47.33 46.90 3i9b h GLY 80 CO -0.02 0.50 0.00 1.39 0.00 0.00 0.00 176.54 178.41 3i9b n ILE 81 N -4.46 1.11 -0.06 2.60 2.08 0.15 -0.76 119.36 120.02 3i9b n ILE 81 Ca 0.00 0.34 -0.06 0.00 0.56 0.00 0.00 62.75 63.59 3i9b n ILE 81 Cb 0.25 -1.22 -0.08 0.00 -0.75 0.00 0.00 39.64 37.83 3i9b n ILE 81 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3i9b n ALA 82 N -1.62 1.72 -0.04 -1.39 0.00 -0.37 -4.34 120.51 114.47 3i9b n ALA 82 Ca 0.02 -0.71 -0.06 0.00 0.00 0.00 0.00 53.44 52.69 3i9b n ALA 82 Cb 0.14 0.04 0.13 0.00 0.00 0.00 0.00 19.45 19.77 3i9b n ALA 82 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3i9b h ARG 83 N 0.00 0.65 0.00 0.00 2.43 0.25 -2.65 114.38 115.06 3i9b h ARG 83 Ca -0.30 -0.26 -0.00 0.00 -0.81 0.00 0.00 59.98 58.61 3i9b h ARG 83 Cb 1.65 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 31.17 3i9b h ARG 83 CO 0.01 0.84 -0.00 0.00 -1.51 0.00 0.00 179.97 179.30 3i9b h ALA 84 N 1.16 -0.98 -0.88 2.80 0.00 -1.16 -2.80 119.26 117.41 3i9b h ALA 84 Ca 0.08 -0.00 0.16 0.00 0.00 0.00 0.00 54.91 55.14 3i9b h ALA 84 Cb 0.72 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.47 3i9b h ALA 84 CO 0.06 -0.98 0.57 1.37 0.00 0.00 0.00 179.25 180.27 3i9b h LEU 85 N -0.00 0.58 0.00 0.00 8.10 -1.76 0.73 115.31 122.97 3i9b h LEU 85 Ca -0.00 0.04 0.00 0.00 0.11 0.00 0.00 57.88 58.03 3i9b h LEU 85 Cb 0.00 -0.07 0.00 0.00 -0.44 0.00 0.00 40.66 40.15 3i9b h LEU 85 CO 0.00 0.28 0.00 0.55 -4.11 0.00 0.00 178.44 175.16 3i9b n VAL 86 N -4.55 0.27 -0.03 0.15 3.14 -1.00 -1.66 118.33 114.65 3i9b n VAL 86 Ca 0.18 0.07 -0.02 0.00 -2.96 0.00 0.00 64.34 61.60 3i9b n VAL 86 Cb 0.52 -0.84 -0.01 0.00 -1.06 0.00 0.00 33.84 32.46 3i9b n VAL 86 CO 0.00 0.00 0.00 1.67 -6.46 0.00 0.00 176.83 172.04 3i9b n GLN 87 N -1.12 0.17 -0.09 1.45 0.00 0.25 -3.35 117.38 114.68 3i9b n GLN 87 Ca 0.09 0.20 0.01 0.00 -0.00 0.00 0.00 57.00 57.30 3i9b n GLN 87 Cb 0.08 -0.93 0.05 0.00 0.00 0.00 0.00 30.24 29.43 3i9b n GLN 87 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 3i9b n TYR 88 N -3.11 0.22 -2.70 3.69 4.02 -1.09 -3.38 117.16 114.81 3i9b n TYR 88 Ca -0.04 -0.08 -0.07 0.00 -0.01 0.00 0.00 57.90 57.71 3i9b n TYR 88 Cb 0.13 -0.12 0.09 0.00 -0.02 0.00 0.00 39.34 39.43 3i9b n TYR 88 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 3i9b n ASN 89 N 0.00 -1.89 -0.25 7.72 3.02 -0.66 -5.04 115.26 118.16 3i9b n ASN 89 Ca 0.03 -2.69 0.19 0.00 -0.03 0.00 0.00 54.58 52.07 3i9b n ASN 89 Cb 0.30 1.32 0.35 0.00 -0.61 0.00 0.00 39.78 41.13 3i9b n ASN 89 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 3i9b n PRO 90 N -0.19 -0.05 0.00 3.52 -0.02 -1.21 0.13 135.00 137.17 3i9b n PRO 90 Ca -0.04 1.07 0.02 0.00 -2.02 0.00 0.00 63.50 62.53 3i9b n PRO 90 Cb 0.77 -1.82 0.11 0.00 -0.02 0.00 0.00 33.50 32.54 3i9b n PRO 90 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3i9b n ASP 91 N -4.83 0.00 -1.49 2.55 10.43 -1.26 -2.17 116.55 119.78 3i9b n ASP 91 Ca 0.24 0.22 -0.06 0.00 2.57 0.00 0.00 54.79 57.76 3i9b n ASP 91 Cb 0.80 -0.28 0.02 0.00 1.84 0.00 0.00 41.12 43.50 3i9b n ASP 91 CO 0.00 0.00 0.00 -1.22 -1.07 0.00 0.00 177.20 174.91 3i9b n TYR 92 N -1.28 0.64 -0.08 1.24 4.02 0.34 -2.98 117.16 119.06 3i9b n TYR 92 Ca 0.02 -1.14 -0.08 0.00 -0.01 0.00 0.00 57.90 56.69 3i9b n TYR 92 Cb 0.03 -0.56 -0.12 0.00 -0.02 0.00 0.00 39.34 38.67 3i9b n TYR 92 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 176.86 173.72 3i9b n ARG 93 N 0.65 1.32 0.00 -0.72 3.00 -0.92 -3.97 116.66 116.02 3i9b n ARG 93 Ca 0.12 0.01 0.00 0.00 -0.00 0.00 0.00 57.85 57.98 3i9b n ARG 93 Cb 0.62 -1.41 0.00 0.00 0.00 0.00 0.00 32.46 31.67 3i9b n ARG 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3i9b n ALA 94 N -2.64 1.92 0.00 5.13 0.00 -1.16 -2.22 120.51 121.54 3i9b n ALA 94 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.17 3i9b n ALA 94 Cb 1.00 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3i9b n ALA 94 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 3i9b n LYS 95 N 0.36 2.88 0.07 0.00 -0.00 -1.26 -4.70 118.16 115.51 3i9b n LYS 95 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 58.31 58.26 3i9b n LYS 95 Cb 0.19 -0.33 -0.09 0.00 -0.00 0.00 0.00 35.03 34.80 3i9b n LYS 95 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 3i9b h LEU 96 N 0.00 0.00 0.07 -5.58 5.85 -1.57 -3.16 115.31 110.92 3i9b h LEU 96 Ca 0.00 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.55 3i9b h LEU 96 Cb 0.00 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.03 3i9b h LEU 96 CO 0.00 0.87 -0.83 0.50 -0.34 0.00 0.00 178.44 178.63 3i9b h LYS 97 N 0.00 0.14 -0.50 1.25 1.63 -1.82 0.91 116.57 118.19 3i9b h LYS 97 Ca -0.05 -0.25 0.09 0.00 -0.85 0.00 0.00 60.65 59.59 3i9b h LYS 97 Cb 1.70 0.09 -0.07 0.00 -0.60 0.00 0.00 32.23 33.35 3i9b h LYS 97 CO 0.10 1.12 0.08 -1.35 -3.45 0.00 0.00 179.45 175.95 3i9b h PRO 98 N -0.64 0.20 -0.02 1.90 0.11 -1.80 0.49 132.00 132.25 3i9b h PRO 98 Ca -0.18 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.91 3i9b h PRO 98 Cb 1.43 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.50 3i9b h PRO 98 CO 0.02 0.14 -0.05 1.28 -0.21 0.00 0.00 178.00 179.18 3i9b n LEU 99 N -5.14 1.61 -0.62 2.35 7.99 -1.19 -4.93 117.00 117.07 3i9b n LEU 99 Ca 0.06 -0.53 -0.07 0.00 -0.01 0.00 0.00 56.01 55.46 3i9b n LEU 99 Cb 0.26 -0.02 -0.03 0.00 -0.11 0.00 0.00 43.42 43.52 3i9b n LEU 99 CO 0.19 0.27 -0.06 0.61 -1.51 0.00 0.00 177.39 176.89 3i9b n GLY 100 N 1.22 0.63 0.27 -0.72 0.00 0.17 -4.79 105.19 101.98 3i9b n GLY 100 Ca 0.17 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.22 3i9b n GLY 100 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3i9b h PHE 101 N 0.00 0.00 -3.09 1.61 -1.00 0.45 -3.38 116.94 111.53 3i9b h PHE 101 Ca -0.14 0.00 -0.62 0.00 2.81 0.00 0.00 57.97 60.02 3i9b h PHE 101 Cb 0.86 0.00 -0.11 0.00 3.61 0.00 0.00 35.95 40.30 3i9b h PHE 101 CO 0.45 0.00 -0.50 -1.17 -1.61 0.00 0.00 178.31 175.48 3i9b s LEU 102 N -4.60 4.20 0.00 1.54 0.20 -1.16 -4.67 118.68 114.20 3i9b s LEU 102 Ca -0.01 0.28 0.00 0.00 0.69 0.00 0.00 54.13 55.10 3i9b s LEU 102 Cb 0.01 -2.06 0.00 0.00 -0.43 0.00 0.00 46.19 43.71 3i9b s LEU 102 CO 0.05 0.25 0.00 0.41 -0.29 0.00 0.00 176.35 176.77 3i9b n THR 103 N 3.03 0.00 0.54 3.68 -1.04 -1.26 -4.96 114.28 114.27 3i9b n THR 103 Ca -0.17 0.00 0.13 0.00 -2.04 0.00 0.00 64.05 61.97 3i9b n THR 103 Cb 0.53 0.00 0.39 0.00 -1.82 0.00 0.00 70.33 69.43 3i9b n THR 103 CO 0.00 0.00 0.00 -0.09 -0.64 0.00 0.00 175.07 174.34 3i9b h ARG 104 N 0.00 0.00 -4.88 -2.82 2.43 -1.95 -3.48 114.38 103.67 3i9b h ARG 104 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3i9b h ARG 104 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 3i9b h ARG 104 CO 0.00 0.00 -0.59 -3.47 -1.51 0.00 0.00 179.97 174.40 3i9b n ASP 105 N -2.39 -7.09 -0.32 -3.80 4.64 -1.26 -4.63 116.55 101.69 3i9b n ASP 105 Ca 0.05 0.76 0.23 0.00 -1.38 0.00 0.00 54.79 54.45 3i9b n ASP 105 Cb 0.42 -4.72 0.45 0.00 -1.04 0.00 0.00 41.12 36.23 3i9b n ASP 105 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3i9b h ALA 106 N 2.05 1.76 -0.61 -1.67 0.00 -1.99 -3.42 119.26 115.38 3i9b h ALA 106 Ca 0.00 0.25 -0.50 0.00 0.00 0.00 0.00 54.91 54.66 3i9b h ALA 106 Cb 0.51 0.33 0.02 0.00 0.00 0.00 0.00 17.79 18.65 3i9b h ALA 106 CO 0.14 -0.69 0.20 0.54 0.00 0.00 0.00 179.25 179.43 3i9b n ARG 107 N -5.24 0.00 -3.70 0.00 1.74 -1.26 -4.88 116.66 103.33 3i9b n ARG 107 Ca 0.31 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 57.28 3i9b n ARG 107 Cb 1.00 -0.91 -0.06 0.00 -1.02 0.00 0.00 32.46 31.47 3i9b n ARG 107 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 3i9b s VAL 108 N 0.76 0.09 -0.12 1.55 -7.23 -1.26 -4.33 120.40 109.85 3i9b s VAL 108 Ca 0.59 -0.71 -0.30 0.00 -1.81 0.00 0.00 61.98 59.75 3i9b s VAL 108 Cb -0.83 -1.17 -0.08 0.00 0.56 0.00 0.00 36.38 34.86 3i9b s VAL 108 CO 0.41 -0.39 2.09 0.52 -0.31 0.00 0.00 175.10 177.41 3i9b n VAL 109 N -0.06 0.52 -2.46 1.32 0.31 -1.26 -4.94 118.33 111.76 3i9b n VAL 109 Ca -0.16 -0.28 -0.33 0.00 -0.01 0.00 0.00 64.34 63.56 3i9b n VAL 109 Cb 0.63 -2.30 -0.04 0.00 -0.91 0.00 0.00 33.84 31.22 3i9b n VAL 109 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 3i9b s GLU 110 N 5.35 3.89 0.29 5.55 -1.05 -1.26 -5.01 118.70 126.46 3i9b s GLU 110 Ca 0.96 1.09 -0.30 0.00 -0.15 0.00 0.00 54.97 56.57 3i9b s GLU 110 Cb -0.47 -2.12 -0.12 0.00 -0.44 0.00 0.00 34.13 30.98 3i9b s GLU 110 CO 0.41 -0.32 1.52 -2.13 0.95 0.00 0.00 175.26 175.69 3i9b n ARG 111 N -1.36 2.52 -2.46 -4.83 0.63 -1.26 -4.85 116.66 105.06 3i9b n ARG 111 Ca 0.07 0.89 -0.42 0.00 -0.92 0.00 0.00 57.85 57.47 3i9b n ARG 111 Cb 0.54 -2.63 -0.03 0.00 0.45 0.00 0.00 32.46 30.79 3i9b n ARG 111 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 3i9b s LYS 112 N -0.76 4.35 -0.25 -0.14 2.36 -1.26 -4.17 119.74 119.88 3i9b s LYS 112 Ca 0.63 1.68 -0.08 0.00 -2.55 0.00 0.00 55.97 55.65 3i9b s LYS 112 Cb -0.53 -3.56 -0.03 0.00 -1.05 0.00 0.00 37.83 32.66 3i9b s LYS 112 CO 0.51 -0.45 0.09 0.15 1.55 0.00 0.00 175.35 177.20 3i9b s LYS 113 N 2.21 3.73 0.87 4.03 1.02 -1.26 -4.82 119.74 125.53 3i9b s LYS 113 Ca 0.56 -0.44 -0.16 0.00 0.02 0.00 0.00 55.97 55.95 3i9b s LYS 113 Cb -0.25 -3.36 -0.09 0.00 -0.52 0.00 0.00 37.83 33.62 3i9b s LYS 113 CO 0.22 -0.13 -0.23 2.48 -0.92 0.00 0.00 175.35 176.77 3i9b n TYR 114 N 4.78 -3.36 0.00 3.18 -0.00 -1.26 -2.61 117.16 117.88 3i9b n TYR 114 Ca -0.16 0.15 0.00 0.00 -0.00 0.00 0.00 57.90 57.89 3i9b n TYR 114 Cb 0.52 -1.62 0.00 0.00 -0.00 0.00 0.00 39.34 38.23 3i9b n TYR 114 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 3i9b n GLY 115 N 2.62 2.10 0.00 -7.48 0.00 -1.26 -4.94 105.19 96.22 3i9b n GLY 115 Ca 0.03 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.63 3i9b n GLY 115 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i9b n LYS 116 N 0.00 1.71 -0.00 1.61 4.76 -1.07 -4.50 118.16 120.67 3i9b n LYS 116 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 3i9b n LYS 116 Cb 0.00 0.00 -0.01 0.00 -1.84 0.00 0.00 35.03 33.18 3i9b n LYS 116 CO 0.00 0.00 0.00 1.58 -1.37 0.00 0.00 177.40 177.61 3i9b n HIS 117 N 0.00 0.00 0.00 2.13 -0.00 -0.13 -4.79 115.22 112.43 3i9b n HIS 117 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 3i9b n HIS 117 Cb 0.00 -0.02 0.00 0.00 -0.12 0.00 0.00 29.99 29.85 3i9b n HIS 117 CO 0.00 0.00 0.00 1.17 0.46 0.00 0.00 176.34 177.97 3i9b n LYS 118 N -1.57 0.00 0.00 1.57 0.00 -1.25 -4.99 118.16 111.92 3i9b n LYS 118 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.31 3i9b n LYS 118 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.09 3i9b n LYS 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3i9b n ALA 119 N 0.00 0.00 0.00 3.14 0.00 -1.26 -2.85 120.51 119.54 3i9b n ALA 119 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3i9b n ALA 119 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3i9b n ALA 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3i9b n ARG 120 N 0.00 0.06 -1.53 0.00 1.74 -1.26 -4.50 116.66 111.17 3i9b n ARG 120 Ca 0.00 0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 56.71 3i9b n ARG 120 Cb 0.00 -0.51 -0.09 0.00 -1.02 0.00 0.00 32.46 30.83 3i9b n ARG 120 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 3i9b n ARG 121 N -1.01 0.52 -0.61 5.56 0.00 -1.13 -4.76 116.66 115.23 3i9b n ARG 121 Ca 0.00 -0.04 -0.30 0.00 -0.00 0.00 0.00 57.85 57.50 3i9b n ARG 121 Cb 0.01 -2.51 0.20 0.00 0.00 0.00 0.00 32.46 30.16 3i9b n ARG 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3i9b n ALA 122 N 13.29 -2.00 1.19 5.13 0.00 -1.26 -0.96 120.51 135.91 3i9b n ALA 122 Ca 0.51 -0.85 0.08 0.00 0.00 0.00 0.00 53.44 53.18 3i9b n ALA 122 Cb 0.30 -2.04 0.45 0.00 0.00 0.00 0.00 19.45 18.15 3i9b n ALA 122 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3i9b n PRO 123 N -4.16 0.60 -1.86 0.00 -0.04 -1.26 -4.67 135.00 123.60 3i9b n PRO 123 Ca 0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 3i9b n PRO 123 Cb 0.53 -1.39 0.00 0.00 -0.04 0.00 0.00 33.50 32.60 3i9b n PRO 123 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 3i9b n GLN 124 N -0.89 -4.05 -3.77 0.54 -0.06 -1.26 -5.08 117.38 102.80 3i9b n GLN 124 Ca 0.11 2.90 -0.14 0.00 -2.00 0.00 0.00 57.00 57.87 3i9b n GLN 124 Cb 0.05 -3.32 -0.04 0.00 -4.06 0.00 0.00 30.24 22.87 3i9b n GLN 124 CO 0.00 0.00 0.00 2.48 -0.20 0.00 0.00 177.06 179.34 3i9b n TYR 125 N 0.90 -1.08 -4.14 3.69 4.11 -1.26 -5.17 117.16 114.21 3i9b n TYR 125 Ca 0.00 -2.20 -0.09 0.00 -0.00 0.00 0.00 57.90 55.61 3i9b n TYR 125 Cb 0.00 0.39 -0.10 0.00 -0.00 0.00 0.00 39.34 39.63 3i9b n TYR 125 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.86 175.74 3i9b s SER 126 N -2.94 0.87 -0.16 9.48 0.01 -1.26 -5.05 113.70 114.65 3i9b s SER 126 Ca 0.29 -1.02 0.16 0.00 1.31 0.00 0.00 55.95 56.69 3i9b s SER 126 Cb 0.00 0.14 0.52 0.00 0.21 0.00 0.00 66.02 66.90 3i9b s SER 126 CO 0.21 -0.53 1.42 2.29 0.41 0.00 0.00 173.24 177.04 3i9b n LYS 127 N 0.01 3.04 0.00 12.44 2.85 -1.26 -5.32 118.16 129.92 3i9b n LYS 127 Ca -0.12 -2.77 0.01 0.00 -1.05 0.00 0.00 58.31 54.37 3i9b n LYS 127 Cb 0.61 -1.81 0.00 0.00 -0.65 0.00 0.00 35.03 33.19 3i9b n LYS 127 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89